(3β)-3-[(3-Carboxy-3-Methylbutanoyl)Oxy]Lup-20(29)-En-28-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C36H56O6
IUPAC Name (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-(3-carboxylato-3-methyl-butanoyl)oxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylvinyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Molecular Mass 584.826 g·mol−1
Heat of Formation 1842.7 ± 16.7 kJ·mol−1
Dipole Moment 17.22 ± 1.08 D
Volume 687.33 Å 3
Surface Area 481.02 Å 2
Point Group Symmetry C1
Synonyms
  • 2,2-dimethyl-succinic acid, 4-((1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl) ester
  • 3-o-(3',3'-dimethylsuccinyl)-betulinic acid
  • bevirimat
  • pa-457
  • yk-fh312
InChIKey YJEJKUQEXFSVCJ-WRFMNRASSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O